Information card for entry 2201589

Structure parameters

• Chemical name: [Bis(diphenylphosphino)methane]bis(pyridine-2-thiolato N-oxide)cobalt(III) perchlorate diethyl ether solvate
• Formula: C39 H40 Cl Co N2 O7 P2 S2
• Calculated formula: C39 H40 Cl Co N2 O7 P2 S2
• SMILES: [Co]123(Sc4[n](=[O]2)cccc4)(Sc2[n](=[O]3)cccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].O(CC)CC
• Title of publication: [Bis(diphenylphosphino)methane]bis(pyridine-2-thiolato <i>N</i>-oxide)cobalt(III) perchlorate diethyl ether solvate
• Authors of publication: Xu, Hong-Wu; Chen, Zhong-Ning; Wu, Ji-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m672 - m673
• a: 12.73 ± 0.003 Å
• b: 16.873 ± 0.004 Å
• c: 18.864 ± 0.004 Å
• α: 90°
• β: 97.572 ± 0.007°
• γ: 90°
• Cell volume: 4016.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes